3-bromanyl-N-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-N-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-N-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-N-[[4-(2-pyrimidinylsulfamoyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-N-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-N-[[4-(2-pyrimidylsulfamoyl)phenyl]thiocarbamoyl]benzamide Formula: C18H14BrN5O3S2 MolecularWeight: 492.36946

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3

Isomeric SMILES

C1=CC(=CC(=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3

InChI

InChI=1S/C18H14BrN5O3S2/c19-13-4-1-3-12(11-13)16(25)23-18(28)22-14-5-7-15(8-6-14)29(26,27)24-17-20-9-2-10-21-17/h1-11H,(H,20,21,24)(H2,22,23,25,28)